Information card for entry 7201434

Structure parameters

• Formula: C20 H26 Cl6 N6 O4 U
• Calculated formula: C20 H22 Cl6 N6 O4 U
• SMILES: [nH+]1ccc(cc1)Nc1cc[nH+]cc1.O=[U](=O)(Cl)(Cl)(Cl)Cl.[Cl-].O.c1cc(cc[nH+]1)Nc1cc[nH+]cc1.[Cl-].O
• Title of publication: The uranyl tetrachloride anion as a tecton in the assembly of U(VI) hybrid materials
• Authors of publication: Deifel, Nicholas P.; Cahill, Christopher L.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 12
• Pages of publication: 2739
• a: 7.129 ± 0.0004 Å
• b: 9.9708 ± 0.0005 Å
• c: 11.4392 ± 0.0006 Å
• α: 71.309 ± 0.001°
• β: 72.594 ± 0.001°
• γ: 77.249 ± 0.001°
• Cell volume: 727.92 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0155
• Residual factor for significantly intense reflections: 0.0155
• Weighted residual factors for significantly intense reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No